N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H21F2N5O2S2 — CID 44609279

About N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 44609279) has the molecular formula C24H21F2N5O2S2 and a molecular weight of 513.60 g/mol. Its IUPAC name is N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 44609279
• Molecular Formula: C24H21F2N5O2S2
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.11
• IUPAC Name: N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1nc(C(=O)N2CCSC2CNC(=O)c2cnc3ccccn23)c(-c2ccc(C)c(F)c2F)s1
• InChI: InChI=1S/C24H21F2N5O2S2/c1-13-6-7-15(20(26)19(13)25)22-21(29-14(2)35-22)24(33)31-9-10-34-18(31)12-28-23(32)16-11-27-17-5-3-4-8-30(16)17/h3-8,11,18H,9-10,12H2,1-2H3,(H,28,32)
• InChIKey: MDZOGFNONWMVQO-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 44609279) is N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc(C(=O)N2CCSC2CNC(=O)c2cnc3ccccn23)c(-c2ccc(C)c(F)c2F)s1.

What is the InChIKey of N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is MDZOGFNONWMVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2S2/c1-13-6-7-15(20(26)19(13)25)22-21(29-14(2)35-22)24(33)31-9-10-34-18(31)12-28-23(32)16-11-27-17-5-3-4-8-30(16)17/h3-8,11,18H,9-10,12H2,1-2H3,(H,28,32).

What are the key properties of N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 513.60 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[5-(2,3-difluoro-4-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-2-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 44609279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).